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Size consistent method (Read 1658 times)
Gerrit-Jan Linker
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Size consistent method
26.12.09 at 10:54:18
 
Size consistent method
 
The energy of two molecules (or fragments) computed at very large separation (e.g. 100 Angstrom) is equal to the twice energy of the individual molecule (fragment). Only defined if the molecules are non-interacting.
 
Not to be confused with size extensive methods.
(http://www.oraxcel.com/cgi-bin/yabb2/YaBB.pl?num=1261821462/0#0)
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« Last Edit: 01.06.12 at 07:26:57 by Gerrit-Jan Linker »  

Gerrit-Jan Linker
Linker IT Software
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